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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 915087-24-0, N-methyl-2-fluoro-4-nitrobenzamide, 2-fluoro-n-methyl-4-nitro-benzamide, Mfcd09909407, Benzamide,2-fluoro-n-methyl-4-nitro-, Schembl547498
    Molecular Formula
    C8H7FN2O3
    Molecular Weight
    198.15  g/mol
    InChI Key
    CWGRZEVFBBAKCD-UHFFFAOYSA-N
    CAS 915087-24-0
    1 2D Structure

    CAS 915087-24-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-fluoro-N-methyl-4-nitrobenzamide
    2.1.2 InChI
    InChI=1S/C8H7FN2O3/c1-10-8(12)6-3-2-5(11(13)14)4-7(6)9/h2-4H,1H3,(H,10,12)
    2.1.3 InChI Key
    CWGRZEVFBBAKCD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 915087-24-0

    2. N-methyl-2-fluoro-4-nitrobenzamide

    3. 2-fluoro-n-methyl-4-nitro-benzamide

    4. Mfcd09909407

    5. Benzamide,2-fluoro-n-methyl-4-nitro-

    6. Schembl547498

    7. Dtxsid40702697

    8. Amy42078

    9. Bcp12300

    10. Cs-m1521

    11. Ab3779

    12. N-methyl-2-fluoro-4 -nitrobenzamide

    13. Ac-29970

    14. As-44734

    15. Sy039791

    16. Db-079057

    17. Ft-0687534

    2.3 Create Date
    2011-10-30
    3 Chemical and Physical Properties
    Molecular Weight 198.15 g/mol
    Molecular Formula C8H7FN2O3
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area74.9
    Heavy Atom Count14
    Formal Charge0
    Complexity241
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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